============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 14 1.000 -13.511 53.632 128.014 -99.200 -91.000 PHE 18 1.000 -15.147 61.060 130.274 -99.200 -91.000 PHE 38 1.000 -15.952 37.849 121.659 -99.200 -91.000 TYR 48 0.840 -16.966 50.685 131.570 -99.200 -91.000 PHE 72 1.000 -17.771 59.265 134.117 -99.200 -91.000 TYR 74 0.840 -12.638 63.154 133.848 -99.200 -91.000 HIS 82 0.900 -14.765 52.062 136.281 -99.200 -91.000 PHE 84 1.000 -14.637 46.685 130.218 -99.200 -91.000 PHE 90 1.000 -7.316 27.219 121.160 -99.200 -91.000 TRP 100 1.040 -18.742 30.842 127.547 -99.200 -91.000 TRP6 100 1.020 -16.450 31.216 127.452 -99.200 -91.000 PHE 117 1.000 -13.028 56.498 133.142 -99.200 -91.000